methyl 4-[(4-pyridin-4-ylcarbonylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 4-[(4-pyridin-4-ylcarbonylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(pyridine-4-carbonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(pyridine-4-carbonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[(4-isonicotinoylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H20N4O3S/c1-26-18(25)15-2-4-16(5-3-15)21-19(27)23-12-10-22(11-13-23)17(24)14-6-8-20-9-7-14/h2-9H,10-13H2,1H3,(H,21,27)